TL;DR: TpTp (CAS 1144515-97-8) is a chemical compound with molecular formula C20H28N4O15P2 and molecular weight 626.10266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: TpTp, d(Ptpt), KST-1A3495, Thymidylyl-(3'-5')-3'-thymidylic acid, 2,6,14-tris(diphenylamino)triptycene
| Molecular Formula | C20H28N4O15P2 |
| Molecular Weight | 626.10266 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 260.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 626.10266 Da |
| Heavy Atoms | 41 |
| Complexity | 1270.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)O |
| InChIKey | LPGUBBCKPSUVTG-UGYDUONOSA-N |
The XLogP value of -4.2 indicates that TpTp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting TpTp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TpTp has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of TpTp is 1144515-97-8.
The molecular formula of TpTp is C20H28N4O15P2.
The molecular weight of TpTp is 626.10266 g/mol.
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